5R0C
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08, DMSO-free
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-29 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.827 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.211, 82.022, 93.525 |
Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
Resolution | 21.300 - 1.600 |
R-factor | 0.2059 |
Rwork | 0.205 |
R-free | 0.25010 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.300 | 50.000 | 1.690 |
High resolution limit [Å] | 1.600 | 4.770 | 1.600 |
Rmerge | 0.048 | 0.024 | 2.414 |
Rmeas | 0.052 | 0.026 | 2.607 |
Total number of observations | 560945 | ||
Number of reflections | 81521 | 3164 | 12971 |
<I/σ(I)> | 16.95 | 72.21 | 0.63 |
Completeness [%] | 99.6 | 0.995 | 0.98 |
Redundancy | 6.869 | 7.38 | 6.88 |
CC(1/2) | 1.000 | 1.000 | 0.375 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% (w/v) PEG 4000, 0.2M Tris-HCl pH 8.5, 0.2M Li2SO4 |